| Supercell Approach in Tight-Binding Calculation of Si and Ge Nanowire Bandstructures |
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| 作者姓名： | 管曦萌 余志平 |
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| 作者单位： | [1]Institute of Microelectronics, Tsinghua University, Beijing 100084 |
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| 基金项目： | Supported by the Special Funds for Major State Basic Research Projects of China under Grant No TG2000036502. |
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| 摘 要： | Energy bandstructures of 100] oriented Si and Ge quantum nanowires with various cross-sections are calculated by using the sp^3d^5s^＊ tight-binding model with a supercell approach. Results are compared with those obtained by the first principles method （i.e., density functional theory, or DFT）. The differences in the bandstructure between silicon and germanium nanowires are analysed and it is shown that germanium keeps indirect-bandgap and the silicon nanowire along the 100] direction becomes direct-bandgap when the wire diameter shrinks. It is shown in comparison with the available experimental data that the tight-binding method is adequate in predicting the bandstructure parameters relevant to the carrier transport in mesoscopic nanowire devices and is far superior to the DFT method in terms of computational cost.
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| 关 键 词： | 纳米金属丝 带状结构 硅 锗 密度函数 |
| 收稿时间： | 2005-05-31 |
| 修稿时间： | 2005-05-31 |
Supercell Approach in Tight-Binding Calculation of Si and Ge Nanowire Bandstructures |
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| Guan XiMeng;Yu ZhiPing.Supercell Approach in Tight-Binding Calculation of Si and Ge Nanowire Bandstructures[J].Chinese Physics Letters,2005,22(10):2651-2654. |
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| Authors: | Guan XiMeng;Yu ZhiPing |
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